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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL346389
CHEMBL346389
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H20ClN3O2

Additional synonyms for CHEMBL346389 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(cc1)N2CCN(Cc3ccc4NC(=O)COc4c3)CC2
Standard InChI InChI=1S/C19H20ClN3O2/c20-15-2-4-16(5-3-15)23-9-7-22(8-10-23 ...
Download InChI
Standard InChI Key UFFHNEZNXKJHFB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL346389

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
357.8 357.1244 2.99 3 44.81 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.67 5.94 3.37 3.35 2 25 0.92

Structural Alerts

There are no structural alerts for CHEMBL346389

Compound Cross References

ChemSpider ChemSpider:UFFHNEZNXKJHFB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL346389



BindingDB 50083342
IBM Patent System 60F47AE2B640EB4457F59358816A1F77
Nikkaji J1.250.430F
PubChem 9885114
PubChem: Thomson Pharma 14852348
SureChEMBL SCHEMBL6910062
ZINC ZINC000053057273

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/UFFHNEZNXKJHFB-UHFFFAOYSA-N spacer
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